N-cyclohexyl-7-[[2-methoxyethyl((111C)methyl)amino]methyl]-N-methyl-[1,3]thiazolo[3,2-a]benzimidazole-2-carboxamide

C22H30N4O2S — CID 53319509

IUPACN-cyclohexyl-7-[[2-methoxyethyl((111C)methyl)amino]methyl]-N-methyl-[1,3]thiazolo[3,2-a]benzimidazole-2-carboxamide
SMILESCOCCN([11CH3])Cc1ccc2nc3sc(C(=O)N(C)C4CCCCC4)cn3c2c1
InChIInChI=1S/C22H30N4O2S/c1-24(11-12-28-3)14-16-9-10-18-19(13-16)26-15-20(29-22(26)23-18)21(27)25(2)17-7-5-4-6-8-17/h9-10,13,15,17H,4-8,11-12,14H2,1-3H3/i1-1
InChIKeyAQINBUDFKZIGCN-BJUDXGSMSA-N
MW413.58 g/mol
LogP4.03
Rot. Bonds7

About N-cyclohexyl-7-[[2-methoxyethyl((111C)methyl)amino]methyl]-N-methyl-[1,3]thiazolo[3,2-a]benzimidazole-2-carboxamide

N-cyclohexyl-7-[[2-methoxyethyl((111C)methyl)amino]methyl]-N-methyl-[1,3]thiazolo[3,2-a]benzimidazole-2-carboxamide (PubChem CID 53319509) has the molecular formula C22H30N4O2S and a molecular weight of 413.58 g/mol. Its IUPAC name is N-cyclohexyl-7-[[2-methoxyethyl((111C)methyl)amino]methyl]-N-methyl-[1,3]thiazolo[3,2-a]benzimidazole-2-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-7-[[2-methoxyethyl((111C)methyl)amino]methyl]-N-methyl-[1,3]thiazolo[3,2-a]benzimidazole-2-carboxamide
PubChem CID53319509
Molecular FormulaC22H30N4O2S
Molecular Weight413.58 g/mol
Exact Mass413.22
IUPAC NameN-cyclohexyl-7-[[2-methoxyethyl((111C)methyl)amino]methyl]-N-methyl-[1,3]thiazolo[3,2-a]benzimidazole-2-carboxamide
SMILESCOCCN([11CH3])Cc1ccc2nc3sc(C(=O)N(C)C4CCCCC4)cn3c2c1
InChIInChI=1S/C22H30N4O2S/c1-24(11-12-28-3)14-16-9-10-18-19(13-16)26-15-20(29-22(26)23-18)21(27)25(2)17-7-5-4-6-8-17/h9-10,13,15,17H,4-8,11-12,14H2,1-3H3/i1-1
InChIKeyAQINBUDFKZIGCN-BJUDXGSMSA-N
XLogP4.03
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.58
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-cyclohexyl-7-[[2-methoxyethyl((111C)methyl)amino]methyl]-N-methyl-[1,3]thiazolo[3,2-a]benzimidazole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[5-[[[(2S)-3,3-dimethylbutan-2-yl]amino]methyl]-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-1,3-thiazole-5-carboxamide
CID 134277685
YM-202074
CID 10409562
N-cyclohexyl-7-[[2-methoxyethyl(methyl)amino]methyl]-N-methyl-[1,3]thiazolo[3,2-a]benzimidazole-2-carboxamide
CID 18003010
(2,6-Dimethylmorpholino)(3-methyl-6-phenylimidazo[2,1-b]thiazol-2-yl)methanone
CID 3244991
3-Methyl-2-(morpholin-4-ylcarbonyl)-6-phenylimidazo[2,1-b][1,3]thiazole
CID 3245660
[6-(4-Fluorophenyl)-5-pyridin-4-ylimidazo[2,1-b][1,3]thiazol-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 44579405
N-cyclohexyl-7-[[2-methoxyethyl(methyl)amino]methyl]-N-(111C)methyl-[1,3]thiazolo[3,2-a]benzimidazole-2-carboxamide
CID 54585457
N-[2-imidazol-1-yl-5-[(E)-N-methoxy-C-methylcarbonimidoyl]phenyl]-2-phenyl-1,3-thiazole-5-carboxamide
CID 73349664
N-[2-imidazol-1-yl-5-(2-methylpropyl)phenyl]-2-phenyl-1,3-thiazole-5-carboxamide
CID 73357237
N-[5-[[[(2S)-3,3-dimethylbutan-2-yl]amino]methyl]-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-2-methyl-1,3-thiazole-5-carboxamide
CID 134277584
N-[5-[[[(2S)-3,3-dimethylbutan-2-yl]amino]methyl]-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-2-propan-2-yl-1,3-thiazole-5-carboxamide
CID 134277588
N,N-bis(2-methoxyethyl)-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 3242900

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-7-[[2-methoxyethyl((111C)methyl)amino]methyl]-N-methyl-[1,3]thiazolo[3,2-a]benzimidazole-2-carboxamide?
The IUPAC name of N-cyclohexyl-7-[[2-methoxyethyl((111C)methyl)amino]methyl]-N-methyl-[1,3]thiazolo[3,2-a]benzimidazole-2-carboxamide (CID 53319509) is N-cyclohexyl-7-[[2-methoxyethyl((111C)methyl)amino]methyl]-N-methyl-[1,3]thiazolo[3,2-a]benzimidazole-2-carboxamide.
What is the SMILES notation for N-cyclohexyl-7-[[2-methoxyethyl((111C)methyl)amino]methyl]-N-methyl-[1,3]thiazolo[3,2-a]benzimidazole-2-carboxamide?
The canonical SMILES for N-cyclohexyl-7-[[2-methoxyethyl((111C)methyl)amino]methyl]-N-methyl-[1,3]thiazolo[3,2-a]benzimidazole-2-carboxamide is COCCN([11CH3])Cc1ccc2nc3sc(C(=O)N(C)C4CCCCC4)cn3c2c1.
What is the InChIKey of N-cyclohexyl-7-[[2-methoxyethyl((111C)methyl)amino]methyl]-N-methyl-[1,3]thiazolo[3,2-a]benzimidazole-2-carboxamide?
The InChIKey is AQINBUDFKZIGCN-BJUDXGSMSA-N. The full InChI is InChI=1S/C22H30N4O2S/c1-24(11-12-28-3)14-16-9-10-18-19(13-16)26-15-20(29-22(26)23-18)21(27)25(2)17-7-5-4-6-8-17/h9-10,13,15,17H,4-8,11-12,14H2,1-3H3/i1-1.
What are the key properties of N-cyclohexyl-7-[[2-methoxyethyl((111C)methyl)amino]methyl]-N-methyl-[1,3]thiazolo[3,2-a]benzimidazole-2-carboxamide?
N-cyclohexyl-7-[[2-methoxyethyl((111C)methyl)amino]methyl]-N-methyl-[1,3]thiazolo[3,2-a]benzimidazole-2-carboxamide has a molecular weight of 413.58 g/mol, XLogP of 4.03, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-7-[[2-methoxyethyl((111C)methyl)amino]methyl]-N-methyl-[1,3]thiazolo[3,2-a]benzimidazole-2-carboxamide is sourced from PubChem (CID 53319509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).